- InChI
- InChI=1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+
- InChI Key
- CUGDOWNTXKLQMD-BQYQJAHWSA-N
- Formula
- C16H14O4
- SMILES
-
COc1cc(O)c(C(=O)C=Cc2ccccc2)c(
O)c1 - Molecular Weight1
- 270.28
- CAS
- 77129-49-8
- Other Names
-
- 2',6'-dihydroxy-4'-methoxychalcone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -163.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Inp | [2365.00; 2365.00] |
|
|
| Inp | 2365.00 | NIST | |
| Inp | 2365.00 | NIST | |
| Tboil | 865.51 | K | Joback Calculated Property |
| Tc | 1120.65 | K | Joback Calculated Property |
| Tfus | 625.96 | K | Joback Calculated Property |
| Vc | 0.651 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.09; 663.34] | J/mol×K | [865.51; 1120.65] |
|
| Cp,gas | 587.09 | J/mol×K | 865.51 | Joback Calculated Property |
| Cp,gas | 599.73 | J/mol×K | 908.03 | Joback Calculated Property |
| Cp,gas | 612.11 | J/mol×K | 950.56 | Joback Calculated Property |
| Cp,gas | 624.45 | J/mol×K | 993.08 | Joback Calculated Property |
| Cp,gas | 636.96 | J/mol×K | 1035.60 | Joback Calculated Property |
| Cp,gas | 649.86 | J/mol×K | 1078.13 | Joback Calculated Property |
| Cp,gas | 663.34 | J/mol×K | 1120.65 | Joback Calculated Property |
| η | [0.0000003; 0.0000060] | Pa×s | [625.96; 865.51] |
|
| η | 0.0000060 | Pa×s | 625.96 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 665.88 | Joback Calculated Property |
| η | 0.0000016 | Pa×s | 705.81 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 745.74 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 785.66 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 825.59 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 865.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-one, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-.
Sources
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